CHEBI:90863 - sonidegib

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ChEBI Name sonidegib ChEBI ID CHEBI:90863 Definition A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C26H26F3N3O3 Net Charge 0 Average Mass 485.499 Monoisotopic Mass 485.19263 InChI InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+ InChIKey VZZJRYRQSPEMTK-CALCHBBNSA-N SMILES O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. SMO receptor antagonist An antagonist that interferes with the action of smoothened (SMO) receptor. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing sonidegib (CHEBI:90863) has role antineoplastic agent (CHEBI:35610) sonidegib (CHEBI:90863) has role Hedgehog signaling pathway inhibitor (CHEBI:140921) sonidegib (CHEBI:90863) has role SMO receptor antagonist (CHEBI:66908) sonidegib (CHEBI:90863) is a aminopyridine (CHEBI:38207) sonidegib (CHEBI:90863) is a aromatic ether (CHEBI:35618) sonidegib (CHEBI:90863) is a benzamides (CHEBI:22702) sonidegib (CHEBI:90863) is a biphenyls (CHEBI:22888) sonidegib (CHEBI:90863) is a morpholines (CHEBI:38785) sonidegib (CHEBI:90863) is a organofluorine compound (CHEBI:37143) sonidegib (CHEBI:90863) is a tertiary amino compound (CHEBI:50996) Incoming sonidegib phosphate (CHEBI:90864) has part sonidegib (CHEBI:90863) IUPAC Name rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide INN Source sonidegib KEGG DRUG Synonyms Sources Erismodegib ChemIDplus LDE 225 ChemIDplus LDE-225 ChemIDplus LDE225 ChemIDplus N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide IUPAC NVP-LDE 225 ChemIDplus NVP-LDE225 ChemIDplus Manual Xrefs Databases 5008 DrugCentral D10119 KEGG DRUG LSM-4938 LINCS Sonidegib Wikipedia View more database links Registry Numbers Types Sources 19431762 Reaxys Registry Number Reaxys 956697-53-3 CAS Registry Number ChemIDplus Citations Types Sources 23482671 PubMed citation Europe PMC 23935925 PubMed citation Europe PMC 24523439 PubMed citation Europe PMC 24817600 PubMed citation Europe PMC 25093491 PubMed citation Europe PMC 25216523 PubMed citation Europe PMC 25473003 PubMed citation Europe PMC 25981810 PubMed citation Europe PMC 26106586 PubMed citation Europe PMC 26483188 PubMed citation Europe PMC 26516158 PubMed citation Europe PMC 26546616 PubMed citation Europe PMC Last Modified 01 June 2018